source: src/unittests/FormulaUnittest.cpp@ 381c5f

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Last change on this file since 381c5f was 997b2a, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Added one more complex test to formulatest
  • Property mode set to 100644
File size: 9.7 KB
Line 
1/*
2 * FormulaUnittest.cpp
3 *
4 * Created on: Jul 21, 2010
5 * Author: crueger
6 */
7
8#include "FormulaUnittest.hpp"
9
10#include <cppunit/CompilerOutputter.h>
11#include <cppunit/extensions/TestFactoryRegistry.h>
12#include <cppunit/ui/text/TestRunner.h>
13
14#include <iostream>
15
16#include "Formula.hpp"
17#include "World.hpp"
18
19#ifdef HAVE_TESTRUNNER
20#include "UnitTestMain.hpp"
21#endif /*HAVE_TESTRUNNER*/
22
23using namespace std;
24
25CPPUNIT_TEST_SUITE_REGISTRATION( FormulaUnittest );
26
27void FormulaUnittest::setUp(){}
28void FormulaUnittest::tearDown(){
29 World::purgeInstance();
30}
31
32void FormulaUnittest::baseTest(){
33 Formula formula;
34 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)0);
35 CPPUNIT_ASSERT(formula.begin()==formula.end());
36
37 // test some one letter element names
38 formula += "H";
39 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)1);
40 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
41 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
42 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
43 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)1);
44 CPPUNIT_ASSERT(formula.begin()!=formula.end());
45 formula += "H";
46 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)2);
47 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
48 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
49 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
50 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)1);
51 CPPUNIT_ASSERT(formula.begin()!=formula.end());
52 formula += "O";
53 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)2);
54 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)1);
55 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
56 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
57 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)2);
58 CPPUNIT_ASSERT(formula.begin()!=formula.end());
59
60 // test copy constructor
61 Formula formula2=formula;
62 CPPUNIT_ASSERT_EQUAL(formula2["H"],(unsigned int)2);
63 CPPUNIT_ASSERT_EQUAL(formula2["O"],(unsigned int)1);
64 CPPUNIT_ASSERT_EQUAL(formula2["C"],(unsigned int)0);
65 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
66 CPPUNIT_ASSERT_EQUAL(formula2.getElementCount(),(unsigned int)2);
67 CPPUNIT_ASSERT(formula2.begin()!=formula2.end());
68
69 // test Assignment operator
70 formula2=Formula();
71 CPPUNIT_ASSERT_EQUAL(formula2["H"],(unsigned int)0);
72 CPPUNIT_ASSERT_EQUAL(formula2["O"],(unsigned int)0);
73 CPPUNIT_ASSERT_EQUAL(formula2["C"],(unsigned int)0);
74 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
75 CPPUNIT_ASSERT_EQUAL(formula2.getElementCount(),(unsigned int)0);
76 CPPUNIT_ASSERT(formula2.begin()==formula2.end());
77
78 // test comparison
79 CPPUNIT_ASSERT(formula!=formula2);
80 Formula formula3;
81 formula3 += "H";
82 formula3 += "H";
83 formula3 += "O";
84 CPPUNIT_ASSERT(formula==formula3);
85
86 // inequality
87 formula3 += "O";
88 CPPUNIT_ASSERT(formula!=formula3);
89
90 // after removing it should be fine again
91 formula3 -= "O";
92 CPPUNIT_ASSERT(formula==formula3);
93
94 // add something from the far end, to test resizing
95 formula3 += "Rh";
96 CPPUNIT_ASSERT(formula!=formula3);
97 formula3 -= "Rh";
98 CPPUNIT_ASSERT(formula==formula3);
99
100 // removal of elements
101 formula -= "H";
102 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)1);
103 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)1);
104 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
105 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
106 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)2);
107 CPPUNIT_ASSERT(formula.begin()!=formula.end());
108
109 formula -= "O";
110 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)1);
111 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
112 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
113 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
114 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)1);
115 CPPUNIT_ASSERT(formula.begin()!=formula.end());
116
117 formula -= "H";
118 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
119 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
120 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
121 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
122 CPPUNIT_ASSERT_EQUAL(formula.getElementCount(),(unsigned int)0);
123 CPPUNIT_ASSERT(formula.begin()==formula.end());
124}
125
126void FormulaUnittest::parseTest(){
127 {
128 Formula formula("");
129 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
130 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
131 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
132 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
133 }
134 {
135 Formula formula("H");
136 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)1);
137 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
138 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
139 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
140 }
141 {
142 Formula formula("H2");
143 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)2);
144 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
145 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
146 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
147 }
148 {
149 Formula formula("H2O");
150 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)2);
151 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)1);
152 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
153 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
154 }
155 {
156 Formula formula("CH3COOH");
157 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)4);
158 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)2);
159 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)2);
160 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
161 }
162 {
163 Formula formula("CH3COONa");
164 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)3);
165 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)2);
166 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)2);
167 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)1);
168 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
169 }
170 {
171 Formula formula("NaCH3COO");
172 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)3);
173 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)2);
174 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)2);
175 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)1);
176 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
177 }
178 {
179 Formula formula("Na2CO3");
180 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
181 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)3);
182 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)1);
183 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)2);
184 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
185 }
186 {
187 Formula formula("CH2(COOH)2");
188 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)4);
189 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)4);
190 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)3);
191 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
192 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
193 }
194 {
195 Formula formula("K4[Fe(CN)6]");
196 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
197 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
198 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)6);
199 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
200 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
201 CPPUNIT_ASSERT_EQUAL(formula["K"],(unsigned int)4);
202 CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)1);
203 CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)6);
204 }
205 {
206 Formula formula("[CrCl3(H2O)3]");
207 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)6);
208 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)3);
209 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)0);
210 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
211 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
212 CPPUNIT_ASSERT_EQUAL(formula["Cr"],(unsigned int)1);
213 CPPUNIT_ASSERT_EQUAL(formula["Cl"],(unsigned int)3);
214 }
215 {
216 Formula formula("Mg3[Fe(CN)6]2");
217 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)0);
218 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)0);
219 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)12);
220 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)0);
221 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
222 CPPUNIT_ASSERT_EQUAL(formula["Mg"],(unsigned int)3);
223 CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)2);
224 CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)12);
225 }
226 {
227 Formula formula("Na[Fe((HO2CCH2)2NCH2CH2N(CH2CO2H)2)]");
228 CPPUNIT_ASSERT_EQUAL(formula["H"],(unsigned int)16);
229 CPPUNIT_ASSERT_EQUAL(formula["O"],(unsigned int)8);
230 CPPUNIT_ASSERT_EQUAL(formula["C"],(unsigned int)10);
231 CPPUNIT_ASSERT_EQUAL(formula["Na"],(unsigned int)1);
232 CPPUNIT_ASSERT_EQUAL(formula["He"],(unsigned int)0);
233 CPPUNIT_ASSERT_EQUAL(formula["Mg"],(unsigned int)0);
234 CPPUNIT_ASSERT_EQUAL(formula["Fe"],(unsigned int)1);
235 CPPUNIT_ASSERT_EQUAL(formula["N"],(unsigned int)2);
236 }
237 {
238 CPPUNIT_ASSERT_THROW(Formula formula("74107"),ParseError);
239 CPPUNIT_ASSERT_THROW(Formula formula(" "),ParseError);
240 CPPUNIT_ASSERT_THROW(Formula formula("nAcL"),ParseError);
241 CPPUNIT_ASSERT_THROW(Formula formula("NAcL"),ParseError);
242 CPPUNIT_ASSERT_THROW(Formula formula("Na Cl"),ParseError);
243 CPPUNIT_ASSERT_THROW(Formula formula("1NaCl"),ParseError);
244 CPPUNIT_ASSERT_THROW(Formula formula("Mag"),ParseError);
245 CPPUNIT_ASSERT_THROW(Formula formula("AgCl)"),ParseError);
246 CPPUNIT_ASSERT_THROW(Formula formula("(Na"),ParseError);
247 CPPUNIT_ASSERT_THROW(Formula formula("(Mag)"),ParseError);
248 CPPUNIT_ASSERT_THROW(Formula formula("MgCl2)"),ParseError);
249 CPPUNIT_ASSERT_THROW(Formula formula("((MgCl2)"),ParseError);
250 CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2))"),ParseError);
251 CPPUNIT_ASSERT_THROW(Formula formula("(MgCl2]"),ParseError);
252 CPPUNIT_ASSERT_THROW(Formula formula("[MgCl2)"),ParseError);
253 CPPUNIT_ASSERT_THROW(Formula formula("N(aCl"),ParseError);
254 CPPUNIT_ASSERT_THROW(Formula formula("Na()Cl"),ParseError);
255 }
256
257
258}
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